Table 1 Summary of data collection and refinement statistics of the R.PabI-nonspecific dsDNA complex.
Data collection | |
|---|---|
X-ray source | Photon Factory AR-NE3A |
Detector | ADSC Quantum270 |
Wavelength (Å) | 1.0000 |
Space group | C2221 |
Unit cell parameters | |
a, b, c (Å) | 72.89, 261.7, 65.08 |
α, β, γ (°) | 90, 90, 90 |
Resolution (Å) | 43.6–1.90 (1.94–1.90)* |
Wilson B-factor (Å2) | 41.5 |
Total number of reflections | 685056 (27971) |
Unique reflections | 49388 (3110) |
Rsym (%) | 5.1 (111.1) |
Mean I/σI | 28.5 (2.0) |
Completeness (%) | 99.6 (99.2) |
Multiplicity | 13.9 (9.0) |
Refinement | |
Resolution (Å) | 43.6–1.90 (1.94–1.90) |
No. of reflections in working/test set | 49246/2444 |
R/Rfree (%) | 20.62/24.81 (34.07/34.00) |
No. atoms | |
Protein/DNA/water | 3475/407/162 |
B-factors (Å2) | |
Chain A (protomer A) | 48.96 |
Chain B (protomer B) | 74.82 |
DNA (chain C) | 57.20 |
water | 53.70 |
r.m.s.d. | |
Bond angle (°) | 1.30 |
Bond length (Å) | 0.013 |
Rotamer outliers (%) | 0.80 |
C-beta outliers | 0 |
Clash score | 3.91 |
